SCHEMBL8314202

SCHEMBL8314202

COc1ccc(OC)c([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
SIGMAR1 Q99720 4/20 0.51
ALDH1A1 P00352 3/20 0.48
S1PR5 Q9H228 2/20 0.48
S1PR1 P21453 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
PRNP P04156 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RORC P51449 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8314205 1.00 DRD2 (0.55) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8685705 0.91 DRD2 (0.53) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8685708 0.91 DRD2 (0.53) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8313881 0.91 DRD2 (0.55) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8313885 0.91 DRD2 (0.55) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8317646 0.90 S1PR5 (0.51) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8317632 0.90 S1PR5 (0.51) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8783153 0.90 TSHR (0.49) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8318711 0.89 RORC (0.51) DRD2DRD3SIGMAR1ALDH1A1S1PR5
SCHEMBL8318715 0.89 RORC (0.51) DRD2DRD3SIGMAR1ALDH1A1S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691342-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-04-28 EP disclosed
US-5663191-A PSYCHIATRIC DISEASES, ANXIETY AND ANTIDEPRESSANTS ADIR ET COMPAGNIE (FR) 1997-09-02 US disclosed
EP-0691342-A1 Benzopyrane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed